| Gaussian 16, revision A. 03 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc., Wallingford CT, 2016 | 25074* | 2016 |
| Mixed Cation FAxPEA1–xPbI3 with Enhanced Phase and Ambient Stability toward High‐Performance Perovskite Solar Cells N Li, Z Zhu, CC Chueh, H Liu, B Peng, A Petrone, X Li, L Wang, AKY Jen Advanced Energy Materials 7 (1), 1601307, 2017 | 355 | 2017 |
| Single-crystal and electronic structure of a 1.3 nm indium phosphide nanocluster DC Gary, SE Flowers, W Kaminsky, A Petrone, X Li, BM Cossairt Journal of the American Chemical Society 138 (5), 1510-1513, 2016 | 191 | 2016 |
| The Chronus Quantum software package DB Williams‐Young, A Petrone, S Sun, TF Stetina, P Lestrange, CE Hoyer, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (2), e1436, 2020 | 88 | 2020 |
| Cation exchange induced transformation of InP magic-sized clusters JL Stein, MI Steimle, MW Terban, A Petrone, SJL Billinge, X Li, ... Chemistry of Materials 29 (18), 7984-7992, 2017 | 73 | 2017 |
| Investigating the role of amine in InP nanocrystal synthesis: destabilizing cluster intermediates by Z-type ligand displacement DC Gary, A Petrone, X Li, BM Cossairt Chemical Communications 53 (1), 161-164, 2017 | 62 | 2017 |
| An efficient implementation of two-component relativistic density functional theory with torque-free auxiliary variables A Petrone, DB Williams-Young, S Sun, TF Stetina, X Li The European Physical Journal B 91 (7), 169, 2018 | 61 | 2018 |
| Gaussian Inc 16, revision A. 03 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc.: Wallingford, CT, 2016 | 61 | 2016 |
| From charge-transfer to a charge-separated state: a perspective from the real-time TDDFT excitonic dynamics A Petrone, DB Lingerfelt, N Rega, X Li Physical Chemistry Chemical Physics 16 (44), 24457-24465, 2014 | 59 | 2014 |
| Understanding THz and IR signals beneath time-resolved fluorescence from excited-state ab initio dynamics A Petrone, G Donati, P Caruso, N Rega Journal of the American Chemical Society 136 (42), 14866-14874, 2014 | 56 | 2014 |
| “Watching” Polaron Pair Formation from First-Principles Electron–Nuclear Dynamics G Donati, DB Lingerfelt, A Petrone, N Rega, X Li The Journal of Physical Chemistry A 120 (37), 7255-7261, 2016 | 53 | 2016 |
| Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches A Petrone, J Cerezo, FJA Ferrer, G Donati, R Improta, N Rega, F Santoro The Journal of Physical Chemistry A 119 (21), 5426-5438, 2015 | 52 | 2015 |
| The mechanism of a green fluorescent protein proton shuttle unveiled in the time-resolved frequency domain by excited state ab initio dynamics G Donati, A Petrone, P Caruso, N Rega Chemical science 9 (5), 1126-1135, 2018 | 50 | 2018 |
| High-pressure, high-temperature molecular doping of nanodiamond MJ Crane, A Petrone, RA Beck, MB Lim, X Zhou, X Li, RM Stroud, ... Science Advances 5 (5), eaau6073, 2019 | 49 | 2019 |
| On the optical absorption of the anionic GFP chromophore in vacuum, solution, and protein A Petrone, P Caruso, S Tenuta, N Rega Physical Chemistry Chemical Physics 15 (47), 20536-20544, 2013 | 48 | 2013 |
| Direct ab Initio (Meta-)Surface-Hopping Dynamics DB Lingerfelt, DB Williams-Young, A Petrone, X Li Journal of chemical theory and computation 12 (3), 935-945, 2016 | 47 | 2016 |
| Ab Initio Transient Vibrational Spectral Analysis A Petrone, DB Lingerfelt, DB Williams-Young, X Li The journal of physical chemistry letters 7 (22), 4501-4508, 2016 | 43 | 2016 |
| Quantum confinement effects on optical transitions in nanodiamonds containing nitrogen vacancies A Petrone, JJ Goings, X Li Physical Review B 94 (16), 165402, 2016 | 42 | 2016 |
| On the Driving Force of the Excited-State Proton Shuttle in the Green Fluorescent Protein: A Time-Dependent Density Functional Theory (TD-DFT) Study of the Intrinsic Reaction Path A Petrone, P Cimino, G Donati, HP Hratchian, MJ Frisch, N Rega Journal of chemical theory and computation 12 (10), 4925-4933, 2016 | 37 | 2016 |
| Vibrational analysis of x-ray absorption fine structure thermal factors by ab initio molecular dynamics: The Zn(II) ion in aqueous solution as a case study N Rega, G Brancato, A Petrone, P Caruso, V Barone The Journal of chemical physics 134 (7), 074504, 2011 | 36 | 2011 |
Xiaosong LiLarry R. Dalton Endowed Chair in Chemistry, University of Washington, Seattle, WA確認したメール アドレス: uw.edu
